Brushite Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E Physics and Chemistry of Minerals 31 (2004) 606-624 The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 375 K _database_code_amcsd 0008901 CELL PARAMETERS: 5.8145 15.2086 6.2580 90.000 116.408 90.000 SPACE GROUP: Ia X-RAY WAVELENGTH: 1.541838 Cell Volume: 495.650 Density (g/cm3): 2.306 MAX. ABS. INTENSITY / VOLUME**2: 10.22729077 RIR: 1.444 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.64 100.00 7.6043 0 2 0 2 18.00 2.07 4.9269 1 1 0 2 20.93 89.33 4.2439 -1 2 1 2 23.40 5.66 3.8022 0 4 0 2 24.51 1.57 3.6326 1 3 0 2 29.27 67.85 3.0513 -1 4 1 2 29.29 4.13 3.0490 -1 1 2 2 30.51 46.16 2.9302 1 2 1 2 31.33 7.05 2.8549 -2 1 1 2 31.93 1.67 2.8025 0 0 2 1 33.52 2.57 2.6734 0 5 1 2 33.80 3.87 2.6522 -1 3 2 2 34.10 36.69 2.6296 0 2 2 2 34.14 5.09 2.6265 1 5 0 2 34.44 23.24 2.6039 2 0 0 1 35.09 4.02 2.5572 -2 0 2 1 35.41 1.27 2.5348 0 6 0 2 35.61 2.32 2.5215 -2 3 1 2 36.88 12.41 2.4372 1 4 1 2 37.09 12.28 2.4239 -2 2 2 2 39.69 3.42 2.2711 -1 6 1 2 41.51 17.01 2.1753 -1 5 2 2 42.06 15.25 2.1484 2 4 0 2 42.61 1.54 2.1219 -2 4 2 2 43.04 4.82 2.1014 -2 5 1 2 43.34 7.41 2.0876 1 1 2 2 44.74 1.16 2.0258 0 7 1 2 44.82 2.50 2.0220 2 1 1 2 45.22 4.56 2.0052 1 7 0 2 45.27 5.89 2.0031 -1 2 3 2 45.86 4.67 1.9786 -2 1 3 2 47.85 1.97 1.9011 0 8 0 2 48.21 3.88 1.8876 -3 1 2 2 48.42 13.68 1.8799 0 6 2 2 49.02 6.67 1.8584 -3 2 1 2 49.06 1.73 1.8568 -2 3 3 2 50.05 11.23 1.8224 -1 4 3 2 50.23 12.68 1.8163 2 6 0 2 50.71 8.69 1.8002 -2 6 2 2 51.27 2.20 1.7820 -1 8 1 2 52.18 1.22 1.7531 0 3 3 2 53.55 8.63 1.7114 -3 4 1 2 55.22 2.17 1.6635 -3 2 3 2 56.41 2.74 1.6311 1 8 1 2 56.91 1.31 1.6179 0 9 1 2 57.36 3.21 1.6063 -1 6 3 2 58.68 3.17 1.5733 0 8 2 2 59.40 5.60 1.5561 -2 0 4 1 59.42 2.98 1.5556 -3 4 3 2 59.48 1.11 1.5542 2 2 2 2 60.28 3.31 1.5354 2 8 0 2 60.70 3.60 1.5257 -2 8 2 2 60.75 3.07 1.5245 -2 2 4 2 63.85 1.90 1.4578 -1 10 1 2 63.99 3.55 1.4549 3 2 1 2 64.07 1.78 1.4533 -4 0 2 1 64.86 4.19 1.4375 1 4 3 2 65.38 1.19 1.4274 -4 2 2 2 66.04 1.15 1.4146 -3 6 3 2 66.76 2.35 1.4012 0 0 4 1 67.86 2.86 1.3811 3 4 1 2 68.39 4.50 1.3716 1 10 1 2 69.91 3.68 1.3455 2 6 2 2 71.09 1.62 1.3261 -2 6 4 2 71.80 1.26 1.3148 0 4 4 2 72.62 2.61 1.3019 4 0 0 1 73.85 1.94 1.2833 4 2 0 2 74.80 1.46 1.2692 -3 8 3 2 75.39 1.67 1.2608 -4 6 2 2 77.85 2.23 1.2270 -1 10 3 2 77.90 1.87 1.2263 0 6 4 2 78.49 2.50 1.2186 2 8 2 2 79.49 1.55 1.2058 -3 2 5 2 79.74 1.28 1.2026 1 8 3 2 80.16 2.29 1.1973 -1 2 5 2 80.65 1.78 1.1913 -3 10 1 2 83.06 1.44 1.1627 -3 4 5 2 83.47 1.36 1.1581 4 6 0 2 83.73 1.41 1.1551 -1 4 5 2 83.76 1.35 1.1548 0 12 2 2 84.95 2.74 1.1416 -4 6 4 2 85.51 1.90 1.1356 -2 12 2 2 85.58 3.01 1.1349 -3 10 3 2 86.23 1.48 1.1280 0 8 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.